(5S,7R)-3-bromanyl-N-[2-[(4-ethylphenyl)carbamoyl]phenyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-bromanyl-N-[2-[(4-ethylphenyl)carbamoyl]phenyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-bromo-N-[2-[(4-ethylphenyl)carbamoyl]phenyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-bromo-N-[2-[(4-ethylanilino)-oxomethyl]phenyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-bromo-N-[2-[(4-ethylphenyl)carbamoyl]phenyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-bromo-N-[2-[(4-ethylphenyl)carbamoyl]phenyl]adamantane-1-carboxamide Formula: C26H29BrN2O2 MolecularWeight: 481.42466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br

InChI

InChI=1S/C26H29BrN2O2/c1-2-17-7-9-20(10-8-17)28-23(30)21-5-3-4-6-22(21)29-24(31)25-12-18-11-19(13-25)15-26(27,14-18)16-25/h3-10,18-19H,2,11-16H2,1H3,(H,28,30)(H,29,31)/t18-,19+,25?,26?